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Template proteins with similar binding site:
Click to view | Rank | CscoreLB | PDB Hit | TM-score | RMSDa | IDENa | Cov. | BS-score | Lig. Name | Download Complex | Predicted binding site residues |
| 1 | 0.02 | 2y5yA | 0.563 | 4.18 | 0.132 | 0.684 | 0.48 | TGA | complex1.pdb.gz | 30,105,109 |
| 2 | 0.01 | 1hnz4 | 0.064 | 4.21 | 0.000 | 0.078 | 0.54 | III | complex2.pdb.gz | 21,22,53,54,55,57,58,59 |
| 3 | 0.01 | 2is1B | 0.338 | 7.38 | 0.041 | 0.540 | 0.44 | QNA | complex3.pdb.gz | 21,23,27,29,30 |
| 4 | 0.01 | 1qhhA | 0.153 | 5.20 | 0.048 | 0.202 | 0.44 | ATP | complex4.pdb.gz | 21,80,82,84,85 |
| 5 | 0.01 | 1wcm7 | 0.076 | 3.41 | 0.031 | 0.087 | 0.40 | III | complex5.pdb.gz | 25,26,48,49,51,52,59,63,66,67 |
| 6 | 0.01 | 2v469 | 0.087 | 3.61 | 0.016 | 0.102 | 0.42 | III | complex6.pdb.gz | 15,20,77,88,90,91,92,93 |
| 7 | 0.01 | 3i4mB | 0.336 | 7.47 | 0.047 | 0.542 | 0.42 | QNA | complex7.pdb.gz | 65,66,69 |
| 8 | 0.01 | 1siwA | 0.322 | 8.05 | 0.038 | 0.549 | 0.44 | SF4 | complex8.pdb.gz | 52,53,106,109 |
| 9 | 0.01 | 2yu91 | 0.046 | 3.72 | 0.029 | 0.054 | 0.43 | III | complex9.pdb.gz | 17,18,21,22,26,27,28 |
| 10 | 0.01 | 2ja58 | 0.086 | 4.95 | 0.061 | 0.111 | 0.47 | III | complex10.pdb.gz | 23,26,27,30,32 |
| Click on the radio buttons to visualize predicted binding site and residues. |
(a) | CscoreLB is the confidence score of predicted binding site. CscoreLB values range in between [0-1]; where a higher score indicates a more reliable ligand-binding site prediction. |
(b) | BS-score is a measure of local similarity (sequence & structure) between template binding site and predicted binding site in the query structure. Based on large scale benchmarking analysis, we have observed that a BS-score >1 reflects a significant local match between the predicted and template binding site.
| (c) | TM-score is a measure of global structural similarity between query and template protein. |
(d) | RMSDa the RMSD between residues that are structurally aligned by TM-align. |
(e) | IDENa is the percentage sequence identity in the structurally aligned region. |
(f) | Cov. represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein. |
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